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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50009255   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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 700n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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 700n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
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 1.70E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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 2.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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 2.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
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 2.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
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 2.80E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
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 2.80E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
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 4.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
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 4.30E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
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 4.60E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
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 4.70E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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 8.40E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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 8.50E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50084980
PNG
((+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epic...)
Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1
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 8.50E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
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 1.16E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
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 1.23E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
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 1.24E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
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 1.27E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
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 1.49E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
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 1.50E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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 1.52E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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 1.54E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526630
PNG
(CHEMBL9353)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
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 2.05E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50084980
PNG
((+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epic...)
Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1
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 3.45E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
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 3.47E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
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 3.55E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
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 3.67E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
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 3.83E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50240348
PNG
((+)-dihydrokaempferol | (2R,3R)-3,5,7-trihydroxy-2...)
Show SMILES O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1
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 4.20E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526630
PNG
(CHEMBL9353)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
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 7.34E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 1.53E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
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n/an/a 1.65E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
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n/an/a 1.98E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50084980
PNG
((+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epic...)
Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50084980
PNG
((+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epic...)
Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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n/an/a 2.88E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
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n/an/a 3.59E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 3.71E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
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